Geometry & MOs

Info

ID:

13190

PubChem CID:

222812

Reduced:

OC11H17 (2)

Stoich.:

AB11C17 (2)

Weight, g/mol:

330.25588

ΔHf, kcal/mol:

-128.24

Dipole, Da:

2.22

IP(EA), eV:

 -9.86(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5R,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]propanal

Drug info:

PubChemData

Smile

CC(C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C

DOS

IR

Vibrations